4YC8
| C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ... | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-19 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4YF0
| HU38-19bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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4YKR
| Heat Shock Protein 90 Bound to CS302 | Descriptor: | 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS302 To Be Published
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4YLE
| Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-05 | Release date: | 2015-04-15 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose To be published
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4YPX
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4YQZ
| Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form | Descriptor: | CHLORIDE ION, Putative oxidoreductase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form To be published
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4YM9
| Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102 | Descriptor: | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ... | Authors: | Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M. | Deposit date: | 2015-03-06 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes. ChemMedChem, 11, 2016
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1CCM
| DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL | Descriptor: | CRAMBIN | Authors: | Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R. | Deposit date: | 1993-04-14 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | "Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin. Proteins, 15, 1993
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6ZOZ
| Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZOY
| Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZP0
| Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZOX
| Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZP2
| Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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6ZP1
| Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | Deposit date: | 2020-07-08 | Release date: | 2020-07-22 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
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4DJB
| A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors | Descriptor: | E4-ORF3 | Authors: | Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C. | Deposit date: | 2012-02-01 | Release date: | 2012-10-31 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors. Cell(Cambridge,Mass.), 151, 2012
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2BVD
| HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-27 | Release date: | 2005-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
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2BV9
| HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-23 | Release date: | 2005-06-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
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1HD4
| SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [MODELED WITH DIANTENNARY GLYCAN AT ASN78] | Descriptor: | CHORIONIC GONADOTROPIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | Deposit date: | 2000-11-07 | Release date: | 2000-12-07 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of the N-Linked Glycans on the 3D Structure of the Free A-Subunit of Human Chorionic Gonadotropin Biochemistry, 39, 2000
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4RMF
| Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | Authors: | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | Deposit date: | 2014-10-21 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target. Plos One, 9, 2014
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4UNM
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1LCC
| STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | Deposit date: | 1993-03-25 | Release date: | 1994-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics. J.Mol.Biol., 234, 1993
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1LCD
| STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | Deposit date: | 1993-03-25 | Release date: | 1994-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics. J.Mol.Biol., 234, 1993
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1FKY
| NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*TP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3') | Authors: | Boulard, Y, Cognet, J.A.H, Fazakerley, G.V. | Deposit date: | 1996-10-09 | Release date: | 1997-04-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure as a function of pH of two central mismatches, C . T and C . C, in the 29 to 39 K-ras gene sequence, by nuclear magnetic resonance and molecular dynamics. J.Mol.Biol., 268, 1997
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1FKZ
| NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*TP*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3') | Authors: | Boulard, Y, Cognet, J.A.H, Fazakerley, G.V. | Deposit date: | 1996-10-09 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure as a function of pH of two central mismatches, C . T and C . C, in the 29 to 39 K-ras gene sequence, by nuclear magnetic resonance and molecular dynamics. J.Mol.Biol., 268, 1997
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5LZM
| COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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